{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn3" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.75 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0.445897 0.750171 0.574093 ] [ 0.445897 0.749829 0.925907 ] [ 0.574093 0.445897 0.750171 ] [ 0.574093 0.054103 0.749829 ] [ 0.750171 0.574093 0.445897 ] [ 0.750171 0.925907 0.054103 ] [ 0.749829 0.574093 0.054103 ] [ 0.749829 0.925907 0.445897 ] [ 0.925907 0.445897 0.749829 ] [ 0.925907 0.054103 0.750171 ] [ 0.945897 0.249829 0.074093 ] [ 0.945897 0.250171 0.425907 ] [ 0.054103 0.749829 0.574093 ] [ 0.054103 0.750171 0.925907 ] [ 0.074093 0.945897 0.249829 ] [ 0.074093 0.554103 0.250171 ] [ 0.250171 0.074093 0.554103 ] [ 0.250171 0.425907 0.945897 ] [ 0.249829 0.074093 0.945897 ] [ 0.249829 0.425907 0.554103 ] [ 0.425907 0.945897 0.250171 ] [ 0.425907 0.554103 0.249829 ] [ 0.554103 0.250171 0.074093 ] [ 0.554103 0.249829 0.425907 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ga" "Ga" "Ga" "Ga" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.55871892 "source-unit" "angstrom" } }